CID 82395502

5-(bromomethyl)-3-ethyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula

C₆H₁₀BrNO₂

SMILES

CCN1CC(OC1=O)CBr

InChI

InChI=1S/C6H10BrNO2/c1-2-8-4-5(3-7)10-6(8)9/h5H,2-4H2,1H3

InChIKey

FUSFAKOTEDNVCI-UHFFFAOYSA-N

Compound name

5-(bromomethyl)-3-ethyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.98949 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.99677	136.9
[M+Na]+	229.97871	149.0
[M-H]-	205.98221	142.6
[M+NH4]+	225.02331	159.0
[M+K]+	245.95265	140.4
[M+H-H2O]+	189.98675	137.3
[M+HCOO]-	251.98769	156.4
[M+CH3COO]-	266.00334	181.8
[M+Na-2H]-	227.96416	143.0
[M]+	206.98894	156.1
[M]-	206.99004	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe